2-(Ethylsulfanyl)pyrimidine-5-carboxylic acid
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Basic information
- CAS
37131-88-7- Standard SMILES
CCSc1ncc(C(=O)O)cn1- InChIKey
KVNMAORNHPFKMX-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2S
- Average molar mass
- 184.22 g/mol
- Monoisotopic mass
- 184.0306485
Names & identifiers
- Preferred name
- 2-(Ethylsulfanyl)pyrimidine-5-carboxylic acid
- IUPAC
- 2-(Ethylsulfanyl)pyrimidine-5-carboxylic acid
- English name
- 5-Pyrimidinecarboxylic acid, 2-(ethylthio)- (9CI)
- Molecular formula
- C7H8N2O2S
- Molecular weight
- 184.22
Names & synonyms
2-(Ethylthio)-5-pyriMidinecarboxylic acid5-Pyrimidinecarboxylic acid, 2-(ethylthio)-2-ethylsulfanyl-pyrimidine-5-carboxylic acid5-Pyrimidinecarboxylic acid, 2-(ethylthio)- (9CI)
Database identifiers
- CAS
37131-88-7- PubChem CID
- 17606157
- DTXSID
DTXSID50589759
Properties
Physicochemical properties
- Melting point
- 182 · 182-183 °C
- Boiling point
- 378.8 · 378.8±15.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 2.78 · 2.78±0.10(Predicted)
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Compound notes
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